ethyl 2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]ethanoate Openeye Name: ethyl 2-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]acetate CAS Name: 2-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]acetate Traditional Name: 2-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]acetic acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CN=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-2-23-17(22)12-20-18(24)21(13-15-7-4-3-5-8-15)14-16-9-6-10-19-11-16/h3-11H,2,12-14H2,1H3,(H,20,24)